USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 636 hydrogens (31 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 HIS : no HE2:sc= -10.6! C(o=-11!,f=-22!) USER MOD Set 1.2: A 27 TYR OH : rot 165:sc= -0.446 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -145:sc= -0.145 (180deg=-0.968) USER MOD Single : A 9 ASN :FLIP amide:sc= -2.74 F(o=-3.5!,f=-2.7) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -121:sc= -0.0106 (180deg=-0.0498) USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.77 USER MOD Single : A 21 LYS NZ :NH3+ 138:sc= -0.147 (180deg=-1.34!) USER MOD Single : A 22 MET CE :methyl 172:sc= -2.11! (180deg=-2.67!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.487 K(o=-0.49,f=-4.3!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.576 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 80:sc= 1.14 USER MOD Single : A 53 GLN : amide:sc= -2.55! C(o=-2.5!,f=-3.4!) USER MOD Single : A 61 MET CE :methyl -104:sc= -9.17! (180deg=-14!) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.1 F(o=-3.5!,f=-1.1) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 82:sc= 0.137 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -5.45! C(o=-5.5!,f=-7.7!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HEM CMA :methyl -30:sc= -14.2! (180deg=-15.6!) USER MOD Single : A 83 HEM CMB :methyl 150:sc= -15.3! (180deg=-15.3!) USER MOD Single : A 83 HEM CMC :methyl -30:sc= -0.681 (180deg=-1.16) USER MOD Single : A 83 HEM CMD :methyl -30:sc= -3.02! (180deg=-4.97!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 69.201 18.602 2.068 1.00 0.00 N ATOM 2 CA GLU A 1 68.887 17.497 1.116 1.00 0.00 C ATOM 3 C GLU A 1 68.292 16.303 1.872 1.00 0.00 C ATOM 4 O GLU A 1 69.004 15.470 2.397 1.00 0.00 O ATOM 5 CB GLU A 1 70.232 17.125 0.485 1.00 0.00 C ATOM 6 CG GLU A 1 70.130 15.745 -0.171 1.00 0.00 C ATOM 7 CD GLU A 1 71.035 15.698 -1.402 1.00 0.00 C ATOM 8 OE1 GLU A 1 71.933 16.520 -1.486 1.00 0.00 O ATOM 9 OE2 GLU A 1 70.815 14.841 -2.243 1.00 0.00 O ATOM 0 H1 GLU A 1 69.604 19.406 1.546 1.00 0.00 H new ATOM 0 H2 GLU A 1 68.330 18.903 2.550 1.00 0.00 H new ATOM 0 H3 GLU A 1 69.889 18.268 2.773 1.00 0.00 H new ATOM 0 HA GLU A 1 68.154 17.791 0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 1 70.515 17.871 -0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 1 71.013 17.120 1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 1 70.422 14.971 0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 1 69.098 15.542 -0.457 1.00 0.00 H new ATOM 18 N ASP A 2 66.990 16.216 1.930 1.00 0.00 N ATOM 19 CA ASP A 2 66.350 15.079 2.651 1.00 0.00 C ATOM 20 C ASP A 2 66.425 13.803 1.802 1.00 0.00 C ATOM 21 O ASP A 2 66.609 13.871 0.603 1.00 0.00 O ATOM 22 CB ASP A 2 64.895 15.508 2.852 1.00 0.00 C ATOM 23 CG ASP A 2 64.796 16.419 4.077 1.00 0.00 C ATOM 24 OD1 ASP A 2 65.698 17.217 4.272 1.00 0.00 O ATOM 25 OD2 ASP A 2 63.819 16.305 4.798 1.00 0.00 O ATOM 0 H ASP A 2 66.343 16.883 1.509 1.00 0.00 H new ATOM 0 HA ASP A 2 66.844 14.858 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 2 64.533 16.031 1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 2 64.261 14.631 2.985 1.00 0.00 H new ATOM 30 N PRO A 3 66.281 12.673 2.453 1.00 0.00 N ATOM 31 CA PRO A 3 66.336 11.370 1.747 1.00 0.00 C ATOM 32 C PRO A 3 65.229 11.278 0.698 1.00 0.00 C ATOM 33 O PRO A 3 65.334 10.539 -0.259 1.00 0.00 O ATOM 34 CB PRO A 3 66.117 10.363 2.879 1.00 0.00 C ATOM 35 CG PRO A 3 65.944 11.134 4.202 1.00 0.00 C ATOM 36 CD PRO A 3 66.058 12.637 3.917 1.00 0.00 C ATOM 0 HA PRO A 3 67.266 11.205 1.203 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.235 9.755 2.678 1.00 0.00 H new ATOM 0 HB3 PRO A 3 66.965 9.681 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 3 64.975 10.907 4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 3 66.705 10.827 4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.153 13.173 4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 3 66.884 13.092 4.464 1.00 0.00 H new ATOM 44 N GLU A 4 64.174 12.027 0.859 1.00 0.00 N ATOM 45 CA GLU A 4 63.079 11.980 -0.150 1.00 0.00 C ATOM 46 C GLU A 4 63.580 12.586 -1.462 1.00 0.00 C ATOM 47 O GLU A 4 63.253 12.128 -2.539 1.00 0.00 O ATOM 48 CB GLU A 4 61.953 12.828 0.440 1.00 0.00 C ATOM 49 CG GLU A 4 62.368 14.300 0.438 1.00 0.00 C ATOM 50 CD GLU A 4 61.323 15.126 1.191 1.00 0.00 C ATOM 51 OE1 GLU A 4 60.341 15.505 0.575 1.00 0.00 O ATOM 52 OE2 GLU A 4 61.523 15.363 2.371 1.00 0.00 O ATOM 0 H GLU A 4 64.023 12.666 1.640 1.00 0.00 H new ATOM 0 HA GLU A 4 62.743 10.965 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 4 61.041 12.696 -0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.733 12.503 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 4 63.345 14.414 0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 4 62.463 14.661 -0.586 1.00 0.00 H new ATOM 59 N VAL A 5 64.383 13.614 -1.372 1.00 0.00 N ATOM 60 CA VAL A 5 64.921 14.254 -2.605 1.00 0.00 C ATOM 61 C VAL A 5 65.829 13.275 -3.347 1.00 0.00 C ATOM 62 O VAL A 5 65.624 12.977 -4.507 1.00 0.00 O ATOM 63 CB VAL A 5 65.717 15.463 -2.110 1.00 0.00 C ATOM 64 CG1 VAL A 5 66.301 16.220 -3.305 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.790 16.394 -1.324 1.00 0.00 C ATOM 0 H VAL A 5 64.689 14.037 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 5 64.134 14.547 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 5 66.528 15.123 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 5 66.867 17.081 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 5 66.960 15.559 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 5 65.492 16.560 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.355 17.256 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.980 16.731 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.374 15.858 -0.471 1.00 0.00 H new ATOM 75 N LEU A 6 66.829 12.763 -2.685 1.00 0.00 N ATOM 76 CA LEU A 6 67.740 11.796 -3.359 1.00 0.00 C ATOM 77 C LEU A 6 66.978 10.509 -3.676 1.00 0.00 C ATOM 78 O LEU A 6 67.351 9.751 -4.548 1.00 0.00 O ATOM 79 CB LEU A 6 68.872 11.528 -2.362 1.00 0.00 C ATOM 80 CG LEU A 6 68.310 11.012 -1.037 1.00 0.00 C ATOM 81 CD1 LEU A 6 68.224 9.484 -1.075 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.246 11.437 0.097 1.00 0.00 C ATOM 0 H LEU A 6 67.054 12.971 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 6 68.130 12.182 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.565 10.797 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 6 69.438 12.444 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 6 67.314 11.425 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 6 67.823 9.119 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 6 67.569 9.177 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 6 69.219 9.067 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 6 68.854 11.074 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.237 11.016 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.314 12.525 0.124 1.00 0.00 H new ATOM 94 N ALA A 7 65.905 10.267 -2.976 1.00 0.00 N ATOM 95 CA ALA A 7 65.106 9.038 -3.240 1.00 0.00 C ATOM 96 C ALA A 7 64.555 9.083 -4.666 1.00 0.00 C ATOM 97 O ALA A 7 64.663 8.133 -5.416 1.00 0.00 O ATOM 98 CB ALA A 7 63.965 9.079 -2.221 1.00 0.00 C ATOM 0 H ALA A 7 65.547 10.867 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 7 65.695 8.126 -3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.329 8.203 -2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.378 9.081 -1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.374 9.982 -2.373 1.00 0.00 H new ATOM 104 N LYS A 8 63.976 10.189 -5.047 1.00 0.00 N ATOM 105 CA LYS A 8 63.428 10.304 -6.429 1.00 0.00 C ATOM 106 C LYS A 8 64.575 10.320 -7.443 1.00 0.00 C ATOM 107 O LYS A 8 64.498 9.715 -8.494 1.00 0.00 O ATOM 108 CB LYS A 8 62.680 11.639 -6.444 1.00 0.00 C ATOM 109 CG LYS A 8 61.188 11.390 -6.673 1.00 0.00 C ATOM 110 CD LYS A 8 60.395 12.631 -6.253 1.00 0.00 C ATOM 111 CE LYS A 8 59.191 12.806 -7.181 1.00 0.00 C ATOM 112 NZ LYS A 8 59.771 13.201 -8.495 1.00 0.00 N ATOM 0 H LYS A 8 63.859 11.017 -4.462 1.00 0.00 H new ATOM 0 HA LYS A 8 62.778 9.470 -6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 8 62.831 12.162 -5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.077 12.281 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 8 61.003 11.165 -7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 8 60.860 10.524 -6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 8 60.060 12.529 -5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 8 61.032 13.514 -6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 8 58.619 11.882 -7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 8 58.510 13.570 -6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 59.133 13.873 -8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 60.697 13.650 -8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 59.888 12.357 -9.091 1.00 0.00 H new ATOM 126 N ASN A 9 65.637 11.015 -7.134 1.00 0.00 N ATOM 127 CA ASN A 9 66.791 11.081 -8.078 1.00 0.00 C ATOM 128 C ASN A 9 67.441 9.702 -8.234 1.00 0.00 C ATOM 129 O ASN A 9 68.142 9.445 -9.192 1.00 0.00 O ATOM 130 CB ASN A 9 67.773 12.067 -7.438 1.00 0.00 C ATOM 131 CG ASN A 9 67.011 13.291 -6.922 1.00 0.00 C ATOM 132 OD1 ASN A 9 65.819 13.552 -7.385 1.00 0.00 O flip ATOM 133 ND2 ASN A 9 67.510 14.023 -6.090 1.00 0.00 N flip ATOM 0 H ASN A 9 65.756 11.540 -6.268 1.00 0.00 H new ATOM 0 HA ASN A 9 66.484 11.397 -9.075 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.305 11.585 -6.618 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.523 12.374 -8.167 1.00 0.00 H new ATOM 0 HD21 ASN A 9 68.441 13.821 -5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 9 66.997 14.839 -5.755 1.00 0.00 H new ATOM 140 N LYS A 10 67.217 8.812 -7.305 1.00 0.00 N ATOM 141 CA LYS A 10 67.826 7.456 -7.419 1.00 0.00 C ATOM 142 C LYS A 10 66.816 6.479 -8.023 1.00 0.00 C ATOM 143 O LYS A 10 67.174 5.438 -8.539 1.00 0.00 O ATOM 144 CB LYS A 10 68.180 7.051 -5.985 1.00 0.00 C ATOM 145 CG LYS A 10 69.424 7.818 -5.524 1.00 0.00 C ATOM 146 CD LYS A 10 70.519 7.709 -6.587 1.00 0.00 C ATOM 147 CE LYS A 10 71.877 8.037 -5.960 1.00 0.00 C ATOM 148 NZ LYS A 10 72.856 7.913 -7.076 1.00 0.00 N ATOM 0 H LYS A 10 66.642 8.964 -6.476 1.00 0.00 H new ATOM 0 HA LYS A 10 68.703 7.449 -8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.343 7.263 -5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.363 5.978 -5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 10 69.174 8.865 -5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.782 7.415 -4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.534 6.703 -7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 10 70.312 8.394 -7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 10 71.885 9.042 -5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 10 72.114 7.349 -5.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 73.812 8.123 -6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 72.831 6.944 -7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 72.609 8.585 -7.831 1.00 0.00 H new ATOM 162 N GLY A 11 65.554 6.810 -7.970 1.00 0.00 N ATOM 163 CA GLY A 11 64.522 5.906 -8.548 1.00 0.00 C ATOM 164 C GLY A 11 63.938 5.014 -7.453 1.00 0.00 C ATOM 165 O GLY A 11 63.235 4.062 -7.729 1.00 0.00 O ATOM 0 H GLY A 11 65.194 7.668 -7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.730 6.494 -9.011 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.963 5.291 -9.333 1.00 0.00 H new ATOM 169 N CYS A 12 64.215 5.308 -6.212 1.00 0.00 N ATOM 170 CA CYS A 12 63.663 4.464 -5.115 1.00 0.00 C ATOM 171 C CYS A 12 62.140 4.617 -5.047 1.00 0.00 C ATOM 172 O CYS A 12 61.435 3.714 -4.652 1.00 0.00 O ATOM 173 CB CYS A 12 64.303 4.991 -3.830 1.00 0.00 C ATOM 174 SG CYS A 12 66.103 5.063 -4.009 1.00 0.00 S ATOM 0 H CYS A 12 64.796 6.091 -5.912 1.00 0.00 H new ATOM 0 HA CYS A 12 63.877 3.407 -5.270 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.913 5.983 -3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 12 64.039 4.345 -2.993 1.00 0.00 H new ATOM 179 N MET A 13 61.631 5.756 -5.425 1.00 0.00 N ATOM 180 CA MET A 13 60.157 5.968 -5.378 1.00 0.00 C ATOM 181 C MET A 13 59.502 5.429 -6.651 1.00 0.00 C ATOM 182 O MET A 13 58.327 5.625 -6.888 1.00 0.00 O ATOM 183 CB MET A 13 59.982 7.484 -5.288 1.00 0.00 C ATOM 184 CG MET A 13 60.468 7.975 -3.924 1.00 0.00 C ATOM 185 SD MET A 13 59.204 9.035 -3.181 1.00 0.00 S ATOM 186 CE MET A 13 58.062 7.717 -2.695 1.00 0.00 C ATOM 0 H MET A 13 62.173 6.551 -5.765 1.00 0.00 H new ATOM 0 HA MET A 13 59.692 5.450 -4.539 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.544 7.973 -6.084 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.934 7.749 -5.429 1.00 0.00 H new ATOM 0 HG2 MET A 13 60.675 7.126 -3.272 1.00 0.00 H new ATOM 0 HG3 MET A 13 61.401 8.527 -4.035 1.00 0.00 H new ATOM 0 HE1 MET A 13 57.097 7.876 -3.176 1.00 0.00 H new ATOM 0 HE2 MET A 13 58.466 6.753 -3.004 1.00 0.00 H new ATOM 0 HE3 MET A 13 57.934 7.727 -1.613 1.00 0.00 H new ATOM 196 N ALA A 14 60.254 4.754 -7.475 1.00 0.00 N ATOM 197 CA ALA A 14 59.673 4.209 -8.732 1.00 0.00 C ATOM 198 C ALA A 14 58.956 2.887 -8.458 1.00 0.00 C ATOM 199 O ALA A 14 57.828 2.685 -8.862 1.00 0.00 O ATOM 200 CB ALA A 14 60.869 3.991 -9.661 1.00 0.00 C ATOM 0 H ALA A 14 61.244 4.557 -7.332 1.00 0.00 H new ATOM 0 HA ALA A 14 58.935 4.882 -9.169 1.00 0.00 H new ATOM 0 HB1 ALA A 14 60.522 3.589 -10.613 1.00 0.00 H new ATOM 0 HB2 ALA A 14 61.375 4.941 -9.832 1.00 0.00 H new ATOM 0 HB3 ALA A 14 61.563 3.287 -9.201 1.00 0.00 H new ATOM 206 N CYS A 15 59.603 1.985 -7.780 1.00 0.00 N ATOM 207 CA CYS A 15 58.966 0.676 -7.484 1.00 0.00 C ATOM 208 C CYS A 15 58.477 0.620 -6.036 1.00 0.00 C ATOM 209 O CYS A 15 57.663 -0.208 -5.684 1.00 0.00 O ATOM 210 CB CYS A 15 60.077 -0.352 -7.676 1.00 0.00 C ATOM 211 SG CYS A 15 60.726 -0.268 -9.365 1.00 0.00 S ATOM 0 H CYS A 15 60.549 2.099 -7.417 1.00 0.00 H new ATOM 0 HA CYS A 15 58.102 0.500 -8.125 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.879 -0.168 -6.961 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.694 -1.353 -7.475 1.00 0.00 H new ATOM 216 N HIS A 16 58.984 1.465 -5.181 1.00 0.00 N ATOM 217 CA HIS A 16 58.553 1.403 -3.756 1.00 0.00 C ATOM 218 C HIS A 16 57.532 2.489 -3.417 1.00 0.00 C ATOM 219 O HIS A 16 57.236 3.365 -4.205 1.00 0.00 O ATOM 220 CB HIS A 16 59.830 1.622 -2.948 1.00 0.00 C ATOM 221 CG HIS A 16 60.488 0.301 -2.678 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.811 -0.757 -2.091 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.766 -0.146 -2.901 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.678 -1.778 -1.978 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.882 -1.460 -2.456 1.00 0.00 N ATOM 0 H HIS A 16 59.669 2.187 -5.403 1.00 0.00 H new ATOM 0 HA HIS A 16 58.067 0.452 -3.538 1.00 0.00 H new ATOM 0 HB2 HIS A 16 60.511 2.274 -3.495 1.00 0.00 H new ATOM 0 HB3 HIS A 16 59.596 2.122 -2.008 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.834 -0.760 -1.798 1.00 0.00 H new ATOM 0 HD2 HIS A 16 62.559 0.432 -3.352 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.430 -2.739 -1.552 1.00 0.00 H new ATOM 233 N ALA A 17 57.009 2.424 -2.224 1.00 0.00 N ATOM 234 CA ALA A 17 56.013 3.426 -1.758 1.00 0.00 C ATOM 235 C ALA A 17 56.083 3.505 -0.232 1.00 0.00 C ATOM 236 O ALA A 17 56.993 2.981 0.371 1.00 0.00 O ATOM 237 CB ALA A 17 54.657 2.886 -2.213 1.00 0.00 C ATOM 0 H ALA A 17 57.236 1.703 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 17 56.189 4.426 -2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 17 53.869 3.574 -1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 17 54.650 2.789 -3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 17 54.484 1.910 -1.761 1.00 0.00 H new ATOM 243 N ILE A 18 55.145 4.143 0.405 1.00 0.00 N ATOM 244 CA ILE A 18 55.206 4.223 1.894 1.00 0.00 C ATOM 245 C ILE A 18 54.461 3.040 2.523 1.00 0.00 C ATOM 246 O ILE A 18 55.068 2.126 3.042 1.00 0.00 O ATOM 247 CB ILE A 18 54.536 5.549 2.254 1.00 0.00 C ATOM 248 CG1 ILE A 18 55.056 6.651 1.327 1.00 0.00 C ATOM 249 CG2 ILE A 18 54.866 5.907 3.703 1.00 0.00 C ATOM 250 CD1 ILE A 18 56.566 6.814 1.523 1.00 0.00 C ATOM 0 H ILE A 18 54.348 4.608 -0.030 1.00 0.00 H new ATOM 0 HA ILE A 18 56.229 4.178 2.267 1.00 0.00 H new ATOM 0 HB ILE A 18 53.456 5.455 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 18 54.838 6.400 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 18 54.547 7.591 1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.389 6.852 3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 18 54.499 5.122 4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 18 55.946 6.002 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 18 56.936 7.599 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 18 56.771 7.084 2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 18 57.067 5.875 1.287 1.00 0.00 H new ATOM 262 N ASP A 19 53.157 3.041 2.485 1.00 0.00 N ATOM 263 CA ASP A 19 52.399 1.907 3.090 1.00 0.00 C ATOM 264 C ASP A 19 51.616 1.148 2.014 1.00 0.00 C ATOM 265 O ASP A 19 50.947 0.174 2.293 1.00 0.00 O ATOM 266 CB ASP A 19 51.443 2.559 4.089 1.00 0.00 C ATOM 267 CG ASP A 19 50.679 3.688 3.397 1.00 0.00 C ATOM 268 OD1 ASP A 19 50.556 3.636 2.184 1.00 0.00 O ATOM 269 OD2 ASP A 19 50.228 4.585 4.090 1.00 0.00 O ATOM 0 H ASP A 19 52.585 3.773 2.064 1.00 0.00 H new ATOM 0 HA ASP A 19 53.059 1.182 3.567 1.00 0.00 H new ATOM 0 HB2 ASP A 19 50.745 1.818 4.478 1.00 0.00 H new ATOM 0 HB3 ASP A 19 52.000 2.950 4.940 1.00 0.00 H new ATOM 274 N THR A 20 51.693 1.586 0.787 1.00 0.00 N ATOM 275 CA THR A 20 50.953 0.889 -0.301 1.00 0.00 C ATOM 276 C THR A 20 51.801 -0.253 -0.870 1.00 0.00 C ATOM 277 O THR A 20 53.002 -0.293 -0.691 1.00 0.00 O ATOM 278 CB THR A 20 50.717 1.966 -1.358 1.00 0.00 C ATOM 279 OG1 THR A 20 51.964 2.372 -1.905 1.00 0.00 O ATOM 280 CG2 THR A 20 50.023 3.168 -0.716 1.00 0.00 C ATOM 0 H THR A 20 52.237 2.397 0.492 1.00 0.00 H new ATOM 0 HA THR A 20 50.020 0.444 0.045 1.00 0.00 H new ATOM 0 HB THR A 20 50.086 1.566 -2.151 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.814 3.062 -2.585 1.00 0.00 H new ATOM 0 HG21 THR A 20 49.855 3.937 -1.470 1.00 0.00 H new ATOM 0 HG22 THR A 20 49.067 2.855 -0.297 1.00 0.00 H new ATOM 0 HG23 THR A 20 50.652 3.570 0.078 1.00 0.00 H new ATOM 288 N LYS A 21 51.188 -1.185 -1.553 1.00 0.00 N ATOM 289 CA LYS A 21 51.962 -2.322 -2.127 1.00 0.00 C ATOM 290 C LYS A 21 52.108 -2.165 -3.645 1.00 0.00 C ATOM 291 O LYS A 21 51.329 -2.699 -4.411 1.00 0.00 O ATOM 292 CB LYS A 21 51.142 -3.570 -1.795 1.00 0.00 C ATOM 293 CG LYS A 21 51.793 -4.797 -2.437 1.00 0.00 C ATOM 294 CD LYS A 21 50.782 -5.945 -2.491 1.00 0.00 C ATOM 295 CE LYS A 21 50.316 -6.148 -3.936 1.00 0.00 C ATOM 296 NZ LYS A 21 51.539 -6.554 -4.686 1.00 0.00 N ATOM 0 H LYS A 21 50.185 -1.206 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 21 52.971 -2.374 -1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 21 51.082 -3.701 -0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 21 50.121 -3.455 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 21 52.137 -4.554 -3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 21 52.670 -5.098 -1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 21 51.235 -6.861 -2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 21 49.929 -5.723 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 21 49.544 -6.915 -3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 21 49.889 -5.232 -4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 51.303 -7.325 -5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 51.903 -5.741 -5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 52.265 -6.880 -4.016 1.00 0.00 H new ATOM 310 N MET A 22 53.102 -1.443 -4.085 1.00 0.00 N ATOM 311 CA MET A 22 53.303 -1.256 -5.553 1.00 0.00 C ATOM 312 C MET A 22 54.182 -2.387 -6.107 1.00 0.00 C ATOM 313 O MET A 22 53.885 -3.552 -5.928 1.00 0.00 O ATOM 314 CB MET A 22 54.000 0.099 -5.679 1.00 0.00 C ATOM 315 CG MET A 22 53.052 1.204 -5.210 1.00 0.00 C ATOM 316 SD MET A 22 53.047 2.550 -6.418 1.00 0.00 S ATOM 317 CE MET A 22 54.225 3.622 -5.560 1.00 0.00 C ATOM 0 H MET A 22 53.786 -0.973 -3.491 1.00 0.00 H new ATOM 0 HA MET A 22 52.370 -1.282 -6.116 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.911 0.109 -5.081 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.296 0.273 -6.714 1.00 0.00 H new ATOM 0 HG2 MET A 22 52.044 0.806 -5.089 1.00 0.00 H new ATOM 0 HG3 MET A 22 53.366 1.577 -4.235 1.00 0.00 H new ATOM 0 HE1 MET A 22 54.485 4.464 -6.202 1.00 0.00 H new ATOM 0 HE2 MET A 22 53.775 3.993 -4.639 1.00 0.00 H new ATOM 0 HE3 MET A 22 55.125 3.056 -5.321 1.00 0.00 H new ATOM 327 N VAL A 23 55.265 -2.066 -6.771 1.00 0.00 N ATOM 328 CA VAL A 23 56.143 -3.142 -7.314 1.00 0.00 C ATOM 329 C VAL A 23 56.848 -3.860 -6.163 1.00 0.00 C ATOM 330 O VAL A 23 57.003 -5.065 -6.166 1.00 0.00 O ATOM 331 CB VAL A 23 57.161 -2.426 -8.201 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.015 -3.461 -8.934 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.423 -1.563 -9.226 1.00 0.00 C ATOM 0 H VAL A 23 55.575 -1.113 -6.958 1.00 0.00 H new ATOM 0 HA VAL A 23 55.583 -3.892 -7.872 1.00 0.00 H new ATOM 0 HB VAL A 23 57.801 -1.796 -7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 23 58.741 -2.951 -9.567 1.00 0.00 H new ATOM 0 HG12 VAL A 23 58.539 -4.081 -8.207 1.00 0.00 H new ATOM 0 HG13 VAL A 23 57.374 -4.090 -9.552 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.147 -1.051 -9.860 1.00 0.00 H new ATOM 0 HG22 VAL A 23 55.785 -2.196 -9.842 1.00 0.00 H new ATOM 0 HG23 VAL A 23 55.810 -0.826 -8.707 1.00 0.00 H new ATOM 343 N GLY A 24 57.267 -3.121 -5.175 1.00 0.00 N ATOM 344 CA GLY A 24 57.955 -3.744 -4.010 1.00 0.00 C ATOM 345 C GLY A 24 57.078 -3.576 -2.764 1.00 0.00 C ATOM 346 O GLY A 24 56.064 -2.907 -2.811 1.00 0.00 O ATOM 0 H GLY A 24 57.162 -2.108 -5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.138 -4.801 -4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 24 58.927 -3.276 -3.852 1.00 0.00 H new ATOM 350 N PRO A 25 57.492 -4.194 -1.686 1.00 0.00 N ATOM 351 CA PRO A 25 56.729 -4.112 -0.420 1.00 0.00 C ATOM 352 C PRO A 25 56.723 -2.679 0.111 1.00 0.00 C ATOM 353 O PRO A 25 57.732 -2.002 0.105 1.00 0.00 O ATOM 354 CB PRO A 25 57.521 -5.035 0.511 1.00 0.00 C ATOM 355 CG PRO A 25 58.721 -5.611 -0.267 1.00 0.00 C ATOM 356 CD PRO A 25 58.732 -5.001 -1.675 1.00 0.00 C ATOM 0 HA PRO A 25 55.682 -4.397 -0.522 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.867 -4.483 1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.884 -5.841 0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.652 -5.383 0.251 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.647 -6.697 -0.326 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.617 -4.387 -1.844 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.723 -5.768 -2.449 1.00 0.00 H new ATOM 364 N ALA A 26 55.597 -2.211 0.574 1.00 0.00 N ATOM 365 CA ALA A 26 55.534 -0.823 1.110 1.00 0.00 C ATOM 366 C ALA A 26 56.767 -0.548 1.973 1.00 0.00 C ATOM 367 O ALA A 26 57.368 -1.453 2.516 1.00 0.00 O ATOM 368 CB ALA A 26 54.264 -0.780 1.958 1.00 0.00 C ATOM 0 H ALA A 26 54.719 -2.729 0.604 1.00 0.00 H new ATOM 0 HA ALA A 26 55.516 -0.071 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.148 0.214 2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.401 -1.008 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.336 -1.516 2.759 1.00 0.00 H new ATOM 374 N TYR A 27 57.149 0.690 2.107 1.00 0.00 N ATOM 375 CA TYR A 27 58.344 1.006 2.938 1.00 0.00 C ATOM 376 C TYR A 27 58.027 0.766 4.416 1.00 0.00 C ATOM 377 O TYR A 27 58.617 -0.083 5.057 1.00 0.00 O ATOM 378 CB TYR A 27 58.642 2.482 2.663 1.00 0.00 C ATOM 379 CG TYR A 27 59.611 2.602 1.503 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.682 1.704 1.379 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.438 3.614 0.551 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.573 1.822 0.305 1.00 0.00 C ATOM 383 CE2 TYR A 27 60.330 3.730 -0.521 1.00 0.00 C ATOM 384 CZ TYR A 27 61.397 2.834 -0.645 1.00 0.00 C ATOM 385 OH TYR A 27 62.275 2.947 -1.703 1.00 0.00 O ATOM 0 H TYR A 27 56.689 1.494 1.680 1.00 0.00 H new ATOM 0 HA TYR A 27 59.202 0.379 2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.718 3.013 2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.065 2.949 3.552 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.819 0.922 2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.614 4.306 0.644 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.397 1.131 0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 27 60.194 4.512 -1.253 1.00 0.00 H new ATOM 0 HH TYR A 27 61.888 3.530 -2.389 1.00 0.00 H new ATOM 395 N LYS A 28 57.093 1.494 4.965 1.00 0.00 N ATOM 396 CA LYS A 28 56.744 1.282 6.398 1.00 0.00 C ATOM 397 C LYS A 28 56.569 -0.214 6.662 1.00 0.00 C ATOM 398 O LYS A 28 56.875 -0.707 7.729 1.00 0.00 O ATOM 399 CB LYS A 28 55.424 2.024 6.608 1.00 0.00 C ATOM 400 CG LYS A 28 54.353 1.430 5.692 1.00 0.00 C ATOM 401 CD LYS A 28 53.613 0.311 6.428 1.00 0.00 C ATOM 402 CE LYS A 28 52.393 0.890 7.149 1.00 0.00 C ATOM 403 NZ LYS A 28 51.463 -0.262 7.319 1.00 0.00 N ATOM 0 H LYS A 28 56.560 2.221 4.487 1.00 0.00 H new ATOM 0 HA LYS A 28 57.517 1.646 7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 28 55.112 1.945 7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 28 55.553 3.085 6.394 1.00 0.00 H new ATOM 0 HG2 LYS A 28 53.650 2.205 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 28 54.812 1.040 4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 28 53.300 -0.458 5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 28 54.279 -0.168 7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 28 52.670 1.319 8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 28 51.932 1.687 6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 50.601 0.056 7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 51.211 -0.645 6.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 51.927 -1.002 7.884 1.00 0.00 H new ATOM 417 N ASP A 29 56.089 -0.941 5.690 1.00 0.00 N ATOM 418 CA ASP A 29 55.904 -2.409 5.879 1.00 0.00 C ATOM 419 C ASP A 29 57.261 -3.069 6.128 1.00 0.00 C ATOM 420 O ASP A 29 57.419 -3.865 7.032 1.00 0.00 O ATOM 421 CB ASP A 29 55.296 -2.910 4.568 1.00 0.00 C ATOM 422 CG ASP A 29 53.770 -2.841 4.652 1.00 0.00 C ATOM 423 OD1 ASP A 29 53.246 -3.048 5.734 1.00 0.00 O ATOM 424 OD2 ASP A 29 53.152 -2.580 3.634 1.00 0.00 O ATOM 0 H ASP A 29 55.817 -0.583 4.774 1.00 0.00 H new ATOM 0 HA ASP A 29 55.267 -2.643 6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.652 -2.304 3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 29 55.614 -3.935 4.376 1.00 0.00 H new ATOM 429 N VAL A 30 58.244 -2.737 5.335 1.00 0.00 N ATOM 430 CA VAL A 30 59.593 -3.338 5.532 1.00 0.00 C ATOM 431 C VAL A 30 60.087 -3.045 6.948 1.00 0.00 C ATOM 432 O VAL A 30 60.794 -3.831 7.548 1.00 0.00 O ATOM 433 CB VAL A 30 60.487 -2.658 4.495 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.952 -2.986 4.789 1.00 0.00 C ATOM 435 CG2 VAL A 30 60.123 -3.165 3.098 1.00 0.00 C ATOM 0 H VAL A 30 58.171 -2.077 4.561 1.00 0.00 H new ATOM 0 HA VAL A 30 59.590 -4.421 5.411 1.00 0.00 H new ATOM 0 HB VAL A 30 60.340 -1.579 4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 30 62.589 -2.501 4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 30 62.213 -2.626 5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 30 62.100 -4.065 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 30 60.760 -2.681 2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 30 60.270 -4.244 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 30 59.079 -2.932 2.887 1.00 0.00 H new ATOM 445 N ALA A 31 59.713 -1.919 7.486 1.00 0.00 N ATOM 446 CA ALA A 31 60.150 -1.569 8.867 1.00 0.00 C ATOM 447 C ALA A 31 59.265 -2.279 9.894 1.00 0.00 C ATOM 448 O ALA A 31 59.662 -2.506 11.020 1.00 0.00 O ATOM 449 CB ALA A 31 59.973 -0.055 8.967 1.00 0.00 C ATOM 0 H ALA A 31 59.123 -1.224 7.029 1.00 0.00 H new ATOM 0 HA ALA A 31 61.178 -1.873 9.065 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.275 0.282 9.959 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.591 0.434 8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.927 0.201 8.800 1.00 0.00 H new ATOM 455 N ALA A 32 58.065 -2.628 9.515 1.00 0.00 N ATOM 456 CA ALA A 32 57.152 -3.318 10.470 1.00 0.00 C ATOM 457 C ALA A 32 57.599 -4.767 10.683 1.00 0.00 C ATOM 458 O ALA A 32 57.386 -5.343 11.732 1.00 0.00 O ATOM 459 CB ALA A 32 55.776 -3.278 9.805 1.00 0.00 C ATOM 0 H ALA A 32 57.678 -2.465 8.585 1.00 0.00 H new ATOM 0 HA ALA A 32 57.147 -2.840 11.450 1.00 0.00 H new ATOM 0 HB1 ALA A 32 55.046 -3.768 10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.480 -2.241 9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.820 -3.796 8.847 1.00 0.00 H new ATOM 465 N LYS A 33 58.215 -5.359 9.698 1.00 0.00 N ATOM 466 CA LYS A 33 58.675 -6.768 9.845 1.00 0.00 C ATOM 467 C LYS A 33 60.093 -6.801 10.419 1.00 0.00 C ATOM 468 O LYS A 33 60.417 -7.620 11.254 1.00 0.00 O ATOM 469 CB LYS A 33 58.653 -7.348 8.431 1.00 0.00 C ATOM 470 CG LYS A 33 59.015 -8.835 8.481 1.00 0.00 C ATOM 471 CD LYS A 33 57.735 -9.671 8.521 1.00 0.00 C ATOM 472 CE LYS A 33 57.656 -10.545 7.266 1.00 0.00 C ATOM 473 NZ LYS A 33 56.559 -11.515 7.538 1.00 0.00 N ATOM 0 H LYS A 33 58.420 -4.928 8.797 1.00 0.00 H new ATOM 0 HA LYS A 33 58.043 -7.339 10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.665 -7.218 7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 33 59.359 -6.812 7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 33 59.611 -9.105 7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 33 59.625 -9.042 9.360 1.00 0.00 H new ATOM 0 HD2 LYS A 33 57.724 -10.296 9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 33 56.864 -9.019 8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 33 57.442 -9.946 6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 33 58.600 -11.058 7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 56.445 -12.149 6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 56.793 -12.076 8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 55.671 -10.998 7.701 1.00 0.00 H new ATOM 487 N TYR A 34 60.939 -5.910 9.979 1.00 0.00 N ATOM 488 CA TYR A 34 62.335 -5.884 10.503 1.00 0.00 C ATOM 489 C TYR A 34 62.379 -5.121 11.830 1.00 0.00 C ATOM 490 O TYR A 34 63.388 -5.082 12.503 1.00 0.00 O ATOM 491 CB TYR A 34 63.145 -5.150 9.433 1.00 0.00 C ATOM 492 CG TYR A 34 63.587 -6.129 8.373 1.00 0.00 C ATOM 493 CD1 TYR A 34 62.770 -6.372 7.261 1.00 0.00 C ATOM 494 CD2 TYR A 34 64.813 -6.792 8.498 1.00 0.00 C ATOM 495 CE1 TYR A 34 63.181 -7.278 6.276 1.00 0.00 C ATOM 496 CE2 TYR A 34 65.223 -7.698 7.514 1.00 0.00 C ATOM 497 CZ TYR A 34 64.407 -7.941 6.402 1.00 0.00 C ATOM 498 OH TYR A 34 64.811 -8.835 5.431 1.00 0.00 O ATOM 0 H TYR A 34 60.724 -5.199 9.280 1.00 0.00 H new ATOM 0 HA TYR A 34 62.728 -6.883 10.695 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.543 -4.360 8.984 1.00 0.00 H new ATOM 0 HB3 TYR A 34 64.014 -4.671 9.885 1.00 0.00 H new ATOM 0 HD1 TYR A 34 61.824 -5.861 7.164 1.00 0.00 H new ATOM 0 HD2 TYR A 34 65.443 -6.604 9.355 1.00 0.00 H new ATOM 0 HE1 TYR A 34 62.552 -7.465 5.419 1.00 0.00 H new ATOM 0 HE2 TYR A 34 66.169 -8.210 7.612 1.00 0.00 H new ATOM 0 HH TYR A 34 65.686 -9.206 5.671 1.00 0.00 H new ATOM 508 N ALA A 35 61.286 -4.516 12.208 1.00 0.00 N ATOM 509 CA ALA A 35 61.256 -3.756 13.490 1.00 0.00 C ATOM 510 C ALA A 35 61.874 -4.589 14.616 1.00 0.00 C ATOM 511 O ALA A 35 61.588 -5.761 14.763 1.00 0.00 O ATOM 512 CB ALA A 35 59.774 -3.503 13.760 1.00 0.00 C ATOM 0 H ALA A 35 60.411 -4.515 11.683 1.00 0.00 H new ATOM 0 HA ALA A 35 61.826 -2.829 13.435 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.664 -2.946 14.690 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.348 -2.926 12.939 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.252 -4.456 13.844 1.00 0.00 H new ATOM 518 N GLY A 36 62.717 -3.993 15.414 1.00 0.00 N ATOM 519 CA GLY A 36 63.349 -4.750 16.531 1.00 0.00 C ATOM 520 C GLY A 36 64.616 -5.445 16.027 1.00 0.00 C ATOM 521 O GLY A 36 64.863 -6.597 16.323 1.00 0.00 O ATOM 0 H GLY A 36 62.995 -3.014 15.341 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.594 -4.073 17.350 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.650 -5.487 16.926 1.00 0.00 H new ATOM 525 N GLN A 37 65.420 -4.754 15.267 1.00 0.00 N ATOM 526 CA GLN A 37 66.672 -5.375 14.746 1.00 0.00 C ATOM 527 C GLN A 37 67.887 -4.551 15.179 1.00 0.00 C ATOM 528 O GLN A 37 67.865 -3.337 15.162 1.00 0.00 O ATOM 529 CB GLN A 37 66.519 -5.353 13.224 1.00 0.00 C ATOM 530 CG GLN A 37 65.918 -6.679 12.753 1.00 0.00 C ATOM 531 CD GLN A 37 66.807 -7.283 11.666 1.00 0.00 C ATOM 532 OE1 GLN A 37 67.851 -6.746 11.350 1.00 0.00 O ATOM 533 NE2 GLN A 37 66.438 -8.387 11.076 1.00 0.00 N ATOM 0 H GLN A 37 65.265 -3.786 14.984 1.00 0.00 H new ATOM 0 HA GLN A 37 66.824 -6.386 15.124 1.00 0.00 H new ATOM 0 HB2 GLN A 37 65.878 -4.524 12.924 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.489 -5.193 12.753 1.00 0.00 H new ATOM 0 HG2 GLN A 37 65.831 -7.369 13.592 1.00 0.00 H new ATOM 0 HG3 GLN A 37 64.912 -6.518 12.367 1.00 0.00 H new ATOM 0 HE21 GLN A 37 65.562 -8.838 11.340 1.00 0.00 H new ATOM 0 HE22 GLN A 37 67.025 -8.798 10.351 1.00 0.00 H new ATOM 542 N ALA A 38 68.946 -5.203 15.579 1.00 0.00 N ATOM 543 CA ALA A 38 70.157 -4.457 16.023 1.00 0.00 C ATOM 544 C ALA A 38 71.098 -4.201 14.842 1.00 0.00 C ATOM 545 O ALA A 38 72.277 -4.487 14.907 1.00 0.00 O ATOM 546 CB ALA A 38 70.826 -5.372 17.050 1.00 0.00 C ATOM 0 H ALA A 38 69.024 -6.219 15.617 1.00 0.00 H new ATOM 0 HA ALA A 38 69.907 -3.481 16.439 1.00 0.00 H new ATOM 0 HB1 ALA A 38 71.730 -4.895 17.428 1.00 0.00 H new ATOM 0 HB2 ALA A 38 70.139 -5.555 17.876 1.00 0.00 H new ATOM 0 HB3 ALA A 38 71.086 -6.319 16.578 1.00 0.00 H new ATOM 552 N GLY A 39 70.593 -3.660 13.767 1.00 0.00 N ATOM 553 CA GLY A 39 71.472 -3.387 12.594 1.00 0.00 C ATOM 554 C GLY A 39 70.731 -3.720 11.298 1.00 0.00 C ATOM 555 O GLY A 39 71.293 -4.290 10.383 1.00 0.00 O ATOM 0 H GLY A 39 69.615 -3.396 13.650 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.774 -2.340 12.591 1.00 0.00 H new ATOM 0 HA3 GLY A 39 72.383 -3.981 12.665 1.00 0.00 H new ATOM 559 N ALA A 40 69.478 -3.368 11.205 1.00 0.00 N ATOM 560 CA ALA A 40 68.716 -3.666 9.961 1.00 0.00 C ATOM 561 C ALA A 40 69.048 -2.632 8.883 1.00 0.00 C ATOM 562 O ALA A 40 68.907 -2.886 7.704 1.00 0.00 O ATOM 563 CB ALA A 40 67.242 -3.575 10.359 1.00 0.00 C ATOM 0 H ALA A 40 68.951 -2.888 11.935 1.00 0.00 H new ATOM 0 HA ALA A 40 68.962 -4.646 9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.617 -3.783 9.491 1.00 0.00 H new ATOM 0 HB2 ALA A 40 67.031 -4.304 11.141 1.00 0.00 H new ATOM 0 HB3 ALA A 40 67.026 -2.573 10.729 1.00 0.00 H new ATOM 569 N GLU A 41 69.498 -1.473 9.278 1.00 0.00 N ATOM 570 CA GLU A 41 69.851 -0.432 8.272 1.00 0.00 C ATOM 571 C GLU A 41 71.143 -0.830 7.557 1.00 0.00 C ATOM 572 O GLU A 41 71.305 -0.608 6.374 1.00 0.00 O ATOM 573 CB GLU A 41 70.052 0.851 9.080 1.00 0.00 C ATOM 574 CG GLU A 41 70.696 1.917 8.191 1.00 0.00 C ATOM 575 CD GLU A 41 72.167 2.087 8.578 1.00 0.00 C ATOM 576 OE1 GLU A 41 72.433 2.844 9.498 1.00 0.00 O ATOM 577 OE2 GLU A 41 73.001 1.459 7.947 1.00 0.00 O ATOM 0 H GLU A 41 69.636 -1.202 10.252 1.00 0.00 H new ATOM 0 HA GLU A 41 69.084 -0.307 7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 41 69.095 1.208 9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 41 70.684 0.653 9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 41 70.616 1.628 7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 41 70.168 2.864 8.301 1.00 0.00 H new ATOM 584 N ALA A 42 72.060 -1.427 8.269 1.00 0.00 N ATOM 585 CA ALA A 42 73.340 -1.853 7.633 1.00 0.00 C ATOM 586 C ALA A 42 73.063 -2.948 6.602 1.00 0.00 C ATOM 587 O ALA A 42 73.494 -2.871 5.469 1.00 0.00 O ATOM 588 CB ALA A 42 74.193 -2.395 8.780 1.00 0.00 C ATOM 0 H ALA A 42 71.978 -1.638 9.264 1.00 0.00 H new ATOM 0 HA ALA A 42 73.840 -1.037 7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 42 75.155 -2.730 8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 42 74.353 -1.608 9.517 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.680 -3.234 9.250 1.00 0.00 H new ATOM 594 N TYR A 43 72.334 -3.963 6.984 1.00 0.00 N ATOM 595 CA TYR A 43 72.020 -5.051 6.016 1.00 0.00 C ATOM 596 C TYR A 43 71.079 -4.511 4.948 1.00 0.00 C ATOM 597 O TYR A 43 71.084 -4.954 3.818 1.00 0.00 O ATOM 598 CB TYR A 43 71.340 -6.138 6.849 1.00 0.00 C ATOM 599 CG TYR A 43 71.079 -7.349 5.989 1.00 0.00 C ATOM 600 CD1 TYR A 43 72.149 -8.030 5.399 1.00 0.00 C ATOM 601 CD2 TYR A 43 69.767 -7.792 5.784 1.00 0.00 C ATOM 602 CE1 TYR A 43 71.907 -9.157 4.604 1.00 0.00 C ATOM 603 CE2 TYR A 43 69.525 -8.918 4.988 1.00 0.00 C ATOM 604 CZ TYR A 43 70.595 -9.601 4.399 1.00 0.00 C ATOM 605 OH TYR A 43 70.358 -10.712 3.618 1.00 0.00 O ATOM 0 H TYR A 43 71.945 -4.084 7.919 1.00 0.00 H new ATOM 0 HA TYR A 43 72.902 -5.438 5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 43 71.972 -6.410 7.695 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.403 -5.762 7.259 1.00 0.00 H new ATOM 0 HD1 TYR A 43 73.161 -7.687 5.557 1.00 0.00 H new ATOM 0 HD2 TYR A 43 68.942 -7.265 6.240 1.00 0.00 H new ATOM 0 HE1 TYR A 43 72.733 -9.684 4.149 1.00 0.00 H new ATOM 0 HE2 TYR A 43 68.513 -9.259 4.829 1.00 0.00 H new ATOM 0 HH TYR A 43 69.394 -10.885 3.579 1.00 0.00 H new ATOM 615 N LEU A 44 70.294 -3.532 5.291 1.00 0.00 N ATOM 616 CA LEU A 44 69.378 -2.933 4.288 1.00 0.00 C ATOM 617 C LEU A 44 70.226 -2.190 3.261 1.00 0.00 C ATOM 618 O LEU A 44 69.841 -2.010 2.124 1.00 0.00 O ATOM 619 CB LEU A 44 68.498 -1.965 5.083 1.00 0.00 C ATOM 620 CG LEU A 44 67.253 -2.703 5.581 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.525 -1.839 6.613 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.318 -2.979 4.401 1.00 0.00 C ATOM 0 H LEU A 44 70.248 -3.121 6.223 1.00 0.00 H new ATOM 0 HA LEU A 44 68.768 -3.663 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 44 69.055 -1.559 5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 44 68.208 -1.121 4.457 1.00 0.00 H new ATOM 0 HG LEU A 44 67.550 -3.646 6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.638 -2.365 6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.189 -1.640 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.228 -0.896 6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.431 -3.505 4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 44 66.022 -2.035 3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 44 66.834 -3.594 3.664 1.00 0.00 H new ATOM 634 N ALA A 45 71.398 -1.774 3.658 1.00 0.00 N ATOM 635 CA ALA A 45 72.297 -1.059 2.716 1.00 0.00 C ATOM 636 C ALA A 45 73.002 -2.071 1.814 1.00 0.00 C ATOM 637 O ALA A 45 73.277 -1.803 0.662 1.00 0.00 O ATOM 638 CB ALA A 45 73.308 -0.333 3.602 1.00 0.00 C ATOM 0 H ALA A 45 71.770 -1.901 4.599 1.00 0.00 H new ATOM 0 HA ALA A 45 71.760 -0.366 2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 45 74.009 0.220 2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.784 0.360 4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.854 -1.061 4.203 1.00 0.00 H new ATOM 644 N GLN A 46 73.294 -3.237 2.328 1.00 0.00 N ATOM 645 CA GLN A 46 73.977 -4.259 1.487 1.00 0.00 C ATOM 646 C GLN A 46 72.968 -4.915 0.545 1.00 0.00 C ATOM 647 O GLN A 46 73.306 -5.360 -0.533 1.00 0.00 O ATOM 648 CB GLN A 46 74.544 -5.279 2.474 1.00 0.00 C ATOM 649 CG GLN A 46 75.984 -4.901 2.829 1.00 0.00 C ATOM 650 CD GLN A 46 76.814 -6.173 3.017 1.00 0.00 C ATOM 651 OE1 GLN A 46 77.813 -6.365 2.353 1.00 0.00 O ATOM 652 NE2 GLN A 46 76.439 -7.055 3.903 1.00 0.00 N ATOM 0 H GLN A 46 73.090 -3.523 3.286 1.00 0.00 H new ATOM 0 HA GLN A 46 74.761 -3.829 0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 46 73.932 -5.308 3.375 1.00 0.00 H new ATOM 0 HB3 GLN A 46 74.516 -6.277 2.038 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.415 -4.286 2.039 1.00 0.00 H new ATOM 0 HG3 GLN A 46 76.000 -4.305 3.742 1.00 0.00 H new ATOM 0 HE21 GLN A 46 75.600 -6.893 4.460 1.00 0.00 H new ATOM 0 HE22 GLN A 46 76.985 -7.906 4.038 1.00 0.00 H new ATOM 661 N ARG A 47 71.726 -4.963 0.940 1.00 0.00 N ATOM 662 CA ARG A 47 70.692 -5.574 0.061 1.00 0.00 C ATOM 663 C ARG A 47 70.162 -4.516 -0.903 1.00 0.00 C ATOM 664 O ARG A 47 69.600 -4.825 -1.933 1.00 0.00 O ATOM 665 CB ARG A 47 69.588 -6.045 1.008 1.00 0.00 C ATOM 666 CG ARG A 47 70.049 -7.303 1.744 1.00 0.00 C ATOM 667 CD ARG A 47 69.339 -8.526 1.158 1.00 0.00 C ATOM 668 NE ARG A 47 70.420 -9.527 0.936 1.00 0.00 N ATOM 669 CZ ARG A 47 70.121 -10.786 0.754 1.00 0.00 C ATOM 670 NH1 ARG A 47 68.874 -11.173 0.764 1.00 0.00 N ATOM 671 NH2 ARG A 47 71.070 -11.659 0.559 1.00 0.00 N ATOM 0 H ARG A 47 71.383 -4.606 1.832 1.00 0.00 H new ATOM 0 HA ARG A 47 71.080 -6.398 -0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.349 -5.259 1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 47 68.677 -6.253 0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.129 -7.417 1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 47 69.828 -7.216 2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 47 68.581 -8.908 1.842 1.00 0.00 H new ATOM 0 HD3 ARG A 47 68.832 -8.279 0.225 1.00 0.00 H new ATOM 0 HE ARG A 47 71.395 -9.229 0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 47 68.130 -10.492 0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 47 68.644 -12.156 0.622 1.00 0.00 H new ATOM 0 HH21 ARG A 47 72.045 -11.359 0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 47 70.837 -12.642 0.417 1.00 0.00 H new ATOM 685 N ILE A 48 70.341 -3.266 -0.571 1.00 0.00 N ATOM 686 CA ILE A 48 69.856 -2.177 -1.465 1.00 0.00 C ATOM 687 C ILE A 48 70.898 -1.880 -2.547 1.00 0.00 C ATOM 688 O ILE A 48 70.568 -1.464 -3.639 1.00 0.00 O ATOM 689 CB ILE A 48 69.671 -0.967 -0.547 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.365 -1.115 0.237 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.615 0.313 -1.383 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.309 -0.046 1.331 1.00 0.00 C ATOM 0 H ILE A 48 70.803 -2.952 0.282 1.00 0.00 H new ATOM 0 HA ILE A 48 68.932 -2.442 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 48 70.511 -0.911 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.511 -1.012 -0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.304 -2.109 0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.483 1.172 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.544 0.423 -1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.778 0.257 -2.079 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.380 -0.148 1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.156 -0.171 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.351 0.943 0.875 1.00 0.00 H new ATOM 704 N LYS A 49 72.155 -2.090 -2.257 1.00 0.00 N ATOM 705 CA LYS A 49 73.204 -1.813 -3.278 1.00 0.00 C ATOM 706 C LYS A 49 73.403 -3.037 -4.174 1.00 0.00 C ATOM 707 O LYS A 49 73.967 -2.946 -5.246 1.00 0.00 O ATOM 708 CB LYS A 49 74.474 -1.522 -2.477 1.00 0.00 C ATOM 709 CG LYS A 49 74.807 -0.032 -2.578 1.00 0.00 C ATOM 710 CD LYS A 49 75.795 0.349 -1.475 1.00 0.00 C ATOM 711 CE LYS A 49 76.958 -0.647 -1.461 1.00 0.00 C ATOM 712 NZ LYS A 49 78.035 0.013 -0.667 1.00 0.00 N ATOM 0 H LYS A 49 72.498 -2.439 -1.362 1.00 0.00 H new ATOM 0 HA LYS A 49 72.936 -0.981 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.332 -1.805 -1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 49 75.303 -2.118 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 49 75.235 0.190 -3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 49 73.897 0.561 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 49 76.170 1.359 -1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 49 75.293 0.351 -0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 49 76.660 -1.593 -1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 49 77.296 -0.870 -2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 78.863 -0.614 -0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 78.305 0.907 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 77.688 0.207 0.294 1.00 0.00 H new ATOM 726 N ASN A 50 72.944 -4.180 -3.744 1.00 0.00 N ATOM 727 CA ASN A 50 73.106 -5.407 -4.577 1.00 0.00 C ATOM 728 C ASN A 50 71.735 -5.982 -4.940 1.00 0.00 C ATOM 729 O ASN A 50 71.615 -6.830 -5.801 1.00 0.00 O ATOM 730 CB ASN A 50 73.876 -6.386 -3.690 1.00 0.00 C ATOM 731 CG ASN A 50 74.373 -7.557 -4.540 1.00 0.00 C ATOM 732 OD1 ASN A 50 73.881 -8.662 -4.420 1.00 0.00 O ATOM 733 ND2 ASN A 50 75.333 -7.361 -5.400 1.00 0.00 N ATOM 0 H ASN A 50 72.465 -4.318 -2.854 1.00 0.00 H new ATOM 0 HA ASN A 50 73.626 -5.206 -5.513 1.00 0.00 H new ATOM 0 HB2 ASN A 50 74.719 -5.881 -3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 50 73.234 -6.751 -2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 50 75.671 -8.135 -5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 50 75.746 -6.434 -5.501 1.00 0.00 H new ATOM 740 N GLY A 51 70.705 -5.524 -4.281 1.00 0.00 N ATOM 741 CA GLY A 51 69.329 -6.036 -4.566 1.00 0.00 C ATOM 742 C GLY A 51 69.345 -7.569 -4.541 1.00 0.00 C ATOM 743 O GLY A 51 70.388 -8.177 -4.405 1.00 0.00 O ATOM 0 H GLY A 51 70.756 -4.812 -3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.626 -5.656 -3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 51 68.990 -5.680 -5.539 1.00 0.00 H new ATOM 747 N SER A 52 68.203 -8.208 -4.664 1.00 0.00 N ATOM 748 CA SER A 52 68.195 -9.713 -4.640 1.00 0.00 C ATOM 749 C SER A 52 66.779 -10.277 -4.461 1.00 0.00 C ATOM 750 O SER A 52 65.862 -9.580 -4.072 1.00 0.00 O ATOM 751 CB SER A 52 69.049 -10.102 -3.434 1.00 0.00 C ATOM 752 OG SER A 52 70.312 -10.573 -3.885 1.00 0.00 O ATOM 0 H SER A 52 67.291 -7.765 -4.778 1.00 0.00 H new ATOM 0 HA SER A 52 68.574 -10.112 -5.581 1.00 0.00 H new ATOM 0 HB2 SER A 52 69.182 -9.243 -2.776 1.00 0.00 H new ATOM 0 HB3 SER A 52 68.546 -10.875 -2.852 1.00 0.00 H new ATOM 0 HG SER A 52 70.889 -9.810 -4.097 1.00 0.00 H new ATOM 758 N GLN A 53 66.610 -11.552 -4.726 1.00 0.00 N ATOM 759 CA GLN A 53 65.269 -12.191 -4.561 1.00 0.00 C ATOM 760 C GLN A 53 65.220 -12.945 -3.223 1.00 0.00 C ATOM 761 O GLN A 53 66.179 -12.960 -2.476 1.00 0.00 O ATOM 762 CB GLN A 53 65.121 -13.136 -5.779 1.00 0.00 C ATOM 763 CG GLN A 53 65.079 -14.615 -5.364 1.00 0.00 C ATOM 764 CD GLN A 53 66.408 -15.003 -4.714 1.00 0.00 C ATOM 765 OE1 GLN A 53 66.431 -15.528 -3.618 1.00 0.00 O ATOM 766 NE2 GLN A 53 67.524 -14.767 -5.348 1.00 0.00 N ATOM 0 H GLN A 53 67.347 -12.178 -5.050 1.00 0.00 H new ATOM 0 HA GLN A 53 64.449 -11.474 -4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.209 -12.887 -6.322 1.00 0.00 H new ATOM 0 HB3 GLN A 53 65.954 -12.976 -6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 53 64.258 -14.784 -4.667 1.00 0.00 H new ATOM 0 HG3 GLN A 53 64.892 -15.243 -6.235 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.505 -14.326 -6.268 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.416 -15.023 -4.924 1.00 0.00 H new ATOM 775 N GLY A 54 64.114 -13.558 -2.912 1.00 0.00 N ATOM 776 CA GLY A 54 64.013 -14.296 -1.622 1.00 0.00 C ATOM 777 C GLY A 54 63.971 -13.283 -0.480 1.00 0.00 C ATOM 778 O GLY A 54 64.176 -13.615 0.671 1.00 0.00 O ATOM 0 H GLY A 54 63.276 -13.581 -3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.116 -14.916 -1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 54 64.865 -14.965 -1.502 1.00 0.00 H new ATOM 782 N VAL A 55 63.702 -12.048 -0.796 1.00 0.00 N ATOM 783 CA VAL A 55 63.638 -10.997 0.257 1.00 0.00 C ATOM 784 C VAL A 55 62.199 -10.867 0.757 1.00 0.00 C ATOM 785 O VAL A 55 61.897 -11.146 1.900 1.00 0.00 O ATOM 786 CB VAL A 55 64.083 -9.711 -0.447 1.00 0.00 C ATOM 787 CG1 VAL A 55 64.488 -8.671 0.594 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.283 -10.003 -1.354 1.00 0.00 C ATOM 0 H VAL A 55 63.523 -11.719 -1.745 1.00 0.00 H new ATOM 0 HA VAL A 55 64.263 -11.222 1.121 1.00 0.00 H new ATOM 0 HB VAL A 55 63.256 -9.331 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.804 -7.757 0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 55 63.638 -8.454 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 55 65.311 -9.058 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 55 65.595 -9.085 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.107 -10.388 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.002 -10.744 -2.102 1.00 0.00 H new ATOM 798 N TRP A 56 61.310 -10.453 -0.102 1.00 0.00 N ATOM 799 CA TRP A 56 59.888 -10.308 0.296 1.00 0.00 C ATOM 800 C TRP A 56 59.024 -11.235 -0.559 1.00 0.00 C ATOM 801 O TRP A 56 58.058 -11.810 -0.098 1.00 0.00 O ATOM 802 CB TRP A 56 59.560 -8.849 0.000 1.00 0.00 C ATOM 803 CG TRP A 56 60.250 -7.975 0.996 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.407 -7.312 0.772 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.855 -7.661 2.363 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.747 -6.609 1.913 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.822 -6.792 2.921 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.762 -8.040 3.164 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.710 -6.315 4.228 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.646 -7.563 4.481 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.619 -6.702 5.010 1.00 0.00 C ATOM 0 H TRP A 56 61.513 -10.207 -1.071 1.00 0.00 H new ATOM 0 HA TRP A 56 59.706 -10.566 1.339 1.00 0.00 H new ATOM 0 HB2 TRP A 56 59.879 -8.591 -1.010 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.483 -8.690 0.045 1.00 0.00 H new ATOM 0 HD1 TRP A 56 61.973 -7.329 -0.148 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.580 -6.026 1.999 1.00 0.00 H new ATOM 0 HE3 TRP A 56 58.008 -8.701 2.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.461 -5.652 4.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.804 -7.861 5.088 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.525 -6.338 6.022 1.00 0.00 H new ATOM 822 N GLY A 57 59.375 -11.381 -1.806 1.00 0.00 N ATOM 823 CA GLY A 57 58.589 -12.266 -2.708 1.00 0.00 C ATOM 824 C GLY A 57 59.462 -12.683 -3.899 1.00 0.00 C ATOM 825 O GLY A 57 60.666 -12.527 -3.865 1.00 0.00 O ATOM 0 H GLY A 57 60.176 -10.923 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.250 -13.148 -2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 57 57.698 -11.746 -3.060 1.00 0.00 H new ATOM 829 N PRO A 58 58.823 -13.205 -4.917 1.00 0.00 N ATOM 830 CA PRO A 58 59.543 -13.657 -6.138 1.00 0.00 C ATOM 831 C PRO A 58 60.080 -12.476 -6.965 1.00 0.00 C ATOM 832 O PRO A 58 60.492 -12.651 -8.095 1.00 0.00 O ATOM 833 CB PRO A 58 58.440 -14.382 -6.918 1.00 0.00 C ATOM 834 CG PRO A 58 57.126 -14.296 -6.117 1.00 0.00 C ATOM 835 CD PRO A 58 57.355 -13.391 -4.901 1.00 0.00 C ATOM 0 HA PRO A 58 60.416 -14.268 -5.908 1.00 0.00 H new ATOM 0 HB2 PRO A 58 58.313 -13.929 -7.901 1.00 0.00 H new ATOM 0 HB3 PRO A 58 58.715 -15.424 -7.081 1.00 0.00 H new ATOM 0 HG2 PRO A 58 56.327 -13.896 -6.742 1.00 0.00 H new ATOM 0 HG3 PRO A 58 56.812 -15.289 -5.796 1.00 0.00 H new ATOM 0 HD2 PRO A 58 56.824 -12.444 -4.994 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.014 -13.858 -3.977 1.00 0.00 H new ATOM 843 N ILE A 59 60.075 -11.279 -6.437 1.00 0.00 N ATOM 844 CA ILE A 59 60.583 -10.121 -7.230 1.00 0.00 C ATOM 845 C ILE A 59 61.899 -9.588 -6.646 1.00 0.00 C ATOM 846 O ILE A 59 61.889 -8.697 -5.821 1.00 0.00 O ATOM 847 CB ILE A 59 59.495 -9.054 -7.125 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.143 -9.654 -7.531 1.00 0.00 C ATOM 849 CG2 ILE A 59 59.842 -7.889 -8.056 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.144 -8.527 -7.811 1.00 0.00 C ATOM 0 H ILE A 59 59.744 -11.055 -5.499 1.00 0.00 H new ATOM 0 HA ILE A 59 60.789 -10.405 -8.262 1.00 0.00 H new ATOM 0 HB ILE A 59 59.432 -8.695 -6.098 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.262 -10.277 -8.418 1.00 0.00 H new ATOM 0 HG13 ILE A 59 57.766 -10.298 -6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 59 59.069 -7.124 -7.985 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.802 -7.463 -7.764 1.00 0.00 H new ATOM 0 HG23 ILE A 59 59.903 -8.250 -9.083 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.184 -8.955 -8.099 1.00 0.00 H new ATOM 0 HD12 ILE A 59 57.017 -7.922 -6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.520 -7.901 -8.620 1.00 0.00 H new ATOM 862 N PRO A 60 62.995 -10.142 -7.103 1.00 0.00 N ATOM 863 CA PRO A 60 64.329 -9.703 -6.627 1.00 0.00 C ATOM 864 C PRO A 60 64.577 -8.241 -6.982 1.00 0.00 C ATOM 865 O PRO A 60 64.376 -7.825 -8.106 1.00 0.00 O ATOM 866 CB PRO A 60 65.282 -10.598 -7.421 1.00 0.00 C ATOM 867 CG PRO A 60 64.452 -11.527 -8.326 1.00 0.00 C ATOM 868 CD PRO A 60 62.963 -11.232 -8.106 1.00 0.00 C ATOM 0 HA PRO A 60 64.444 -9.781 -5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 60 65.958 -9.990 -8.023 1.00 0.00 H new ATOM 0 HB3 PRO A 60 65.901 -11.186 -6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 60 64.717 -11.370 -9.372 1.00 0.00 H new ATOM 0 HG3 PRO A 60 64.668 -12.570 -8.095 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.471 -10.921 -9.027 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.426 -12.106 -7.738 1.00 0.00 H new ATOM 876 N MET A 61 65.030 -7.457 -6.048 1.00 0.00 N ATOM 877 CA MET A 61 65.302 -6.033 -6.362 1.00 0.00 C ATOM 878 C MET A 61 66.592 -5.918 -7.176 1.00 0.00 C ATOM 879 O MET A 61 67.604 -6.458 -6.781 1.00 0.00 O ATOM 880 CB MET A 61 65.485 -5.362 -5.010 1.00 0.00 C ATOM 881 CG MET A 61 65.866 -3.895 -5.215 1.00 0.00 C ATOM 882 SD MET A 61 67.515 -3.589 -4.542 1.00 0.00 S ATOM 883 CE MET A 61 67.013 -3.433 -2.811 1.00 0.00 C ATOM 0 H MET A 61 65.222 -7.739 -5.087 1.00 0.00 H new ATOM 0 HA MET A 61 64.502 -5.578 -6.945 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.565 -5.432 -4.430 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.261 -5.874 -4.440 1.00 0.00 H new ATOM 0 HG2 MET A 61 65.846 -3.650 -6.277 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.138 -3.249 -4.725 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.018 -2.381 -2.524 1.00 0.00 H new ATOM 0 HE2 MET A 61 66.009 -3.839 -2.685 1.00 0.00 H new ATOM 0 HE3 MET A 61 67.709 -3.985 -2.179 1.00 0.00 H new ATOM 893 N PRO A 62 66.531 -5.212 -8.280 1.00 0.00 N ATOM 894 CA PRO A 62 67.735 -5.026 -9.118 1.00 0.00 C ATOM 895 C PRO A 62 68.734 -4.143 -8.362 1.00 0.00 C ATOM 896 O PRO A 62 68.353 -3.130 -7.811 1.00 0.00 O ATOM 897 CB PRO A 62 67.180 -4.297 -10.346 1.00 0.00 C ATOM 898 CG PRO A 62 65.666 -4.088 -10.153 1.00 0.00 C ATOM 899 CD PRO A 62 65.278 -4.581 -8.752 1.00 0.00 C ATOM 0 HA PRO A 62 68.257 -5.948 -9.375 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.681 -3.337 -10.474 1.00 0.00 H new ATOM 0 HB3 PRO A 62 67.369 -4.878 -11.248 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.412 -3.034 -10.267 1.00 0.00 H new ATOM 0 HG3 PRO A 62 65.109 -4.634 -10.914 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.967 -3.761 -8.104 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.452 -5.292 -8.785 1.00 0.00 H new ATOM 907 N PRO A 63 69.978 -4.545 -8.341 1.00 0.00 N ATOM 908 CA PRO A 63 71.003 -3.758 -7.622 1.00 0.00 C ATOM 909 C PRO A 63 71.054 -2.329 -8.172 1.00 0.00 C ATOM 910 O PRO A 63 70.922 -2.105 -9.359 1.00 0.00 O ATOM 911 CB PRO A 63 72.288 -4.530 -7.914 1.00 0.00 C ATOM 912 CG PRO A 63 71.945 -5.746 -8.798 1.00 0.00 C ATOM 913 CD PRO A 63 70.427 -5.776 -9.027 1.00 0.00 C ATOM 0 HA PRO A 63 70.816 -3.650 -6.554 1.00 0.00 H new ATOM 0 HB2 PRO A 63 73.008 -3.887 -8.419 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.751 -4.858 -6.984 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.470 -5.680 -9.751 1.00 0.00 H new ATOM 0 HG3 PRO A 63 72.273 -6.667 -8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 63 70.176 -5.765 -10.088 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.969 -6.669 -8.601 1.00 0.00 H new ATOM 921 N ASN A 64 71.224 -1.361 -7.315 1.00 0.00 N ATOM 922 CA ASN A 64 71.260 0.054 -7.784 1.00 0.00 C ATOM 923 C ASN A 64 72.674 0.629 -7.677 1.00 0.00 C ATOM 924 O ASN A 64 73.533 0.082 -7.013 1.00 0.00 O ATOM 925 CB ASN A 64 70.313 0.796 -6.841 1.00 0.00 C ATOM 926 CG ASN A 64 68.908 0.205 -6.962 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.674 -0.993 -6.499 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 68.011 0.840 -7.482 1.00 0.00 N flip ATOM 0 H ASN A 64 71.340 -1.488 -6.310 1.00 0.00 H new ATOM 0 HA ASN A 64 70.967 0.146 -8.830 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.667 0.713 -5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.295 1.858 -7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 64 68.192 1.776 -7.844 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.077 0.437 -7.556 1.00 0.00 H new ATOM 935 N ALA A 65 72.918 1.736 -8.325 1.00 0.00 N ATOM 936 CA ALA A 65 74.271 2.358 -8.262 1.00 0.00 C ATOM 937 C ALA A 65 74.297 3.434 -7.177 1.00 0.00 C ATOM 938 O ALA A 65 74.991 4.426 -7.285 1.00 0.00 O ATOM 939 CB ALA A 65 74.488 2.977 -9.643 1.00 0.00 C ATOM 0 H ALA A 65 72.237 2.237 -8.896 1.00 0.00 H new ATOM 0 HA ALA A 65 75.051 1.637 -8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.466 3.457 -9.677 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.439 2.197 -10.403 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.713 3.719 -9.835 1.00 0.00 H new ATOM 945 N VAL A 66 73.548 3.238 -6.130 1.00 0.00 N ATOM 946 CA VAL A 66 73.522 4.241 -5.026 1.00 0.00 C ATOM 947 C VAL A 66 74.817 4.158 -4.216 1.00 0.00 C ATOM 948 O VAL A 66 75.145 3.130 -3.657 1.00 0.00 O ATOM 949 CB VAL A 66 72.322 3.855 -4.157 1.00 0.00 C ATOM 950 CG1 VAL A 66 71.027 4.155 -4.915 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.386 2.361 -3.830 1.00 0.00 C ATOM 0 H VAL A 66 72.950 2.424 -5.989 1.00 0.00 H new ATOM 0 HA VAL A 66 73.438 5.262 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 66 72.345 4.430 -3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.172 3.881 -4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 66 70.980 5.219 -5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 66 71.006 3.580 -5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.531 2.087 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.364 1.785 -4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.308 2.146 -3.290 1.00 0.00 H new ATOM 961 N SER A 67 75.557 5.230 -4.148 1.00 0.00 N ATOM 962 CA SER A 67 76.829 5.206 -3.371 1.00 0.00 C ATOM 963 C SER A 67 76.587 4.572 -1.999 1.00 0.00 C ATOM 964 O SER A 67 75.473 4.245 -1.649 1.00 0.00 O ATOM 965 CB SER A 67 77.232 6.673 -3.223 1.00 0.00 C ATOM 966 OG SER A 67 78.599 6.747 -2.840 1.00 0.00 O ATOM 0 H SER A 67 75.337 6.120 -4.596 1.00 0.00 H new ATOM 0 HA SER A 67 77.607 4.622 -3.862 1.00 0.00 H new ATOM 0 HB2 SER A 67 77.077 7.202 -4.163 1.00 0.00 H new ATOM 0 HB3 SER A 67 76.606 7.161 -2.476 1.00 0.00 H new ATOM 0 HG SER A 67 78.862 7.686 -2.746 1.00 0.00 H new ATOM 972 N ASP A 68 77.618 4.393 -1.223 1.00 0.00 N ATOM 973 CA ASP A 68 77.431 3.777 0.122 1.00 0.00 C ATOM 974 C ASP A 68 76.617 4.709 1.020 1.00 0.00 C ATOM 975 O ASP A 68 75.484 4.429 1.359 1.00 0.00 O ATOM 976 CB ASP A 68 78.844 3.592 0.675 1.00 0.00 C ATOM 977 CG ASP A 68 78.799 2.667 1.892 1.00 0.00 C ATOM 978 OD1 ASP A 68 77.909 2.836 2.709 1.00 0.00 O ATOM 979 OD2 ASP A 68 79.658 1.804 1.988 1.00 0.00 O ATOM 0 H ASP A 68 78.578 4.645 -1.459 1.00 0.00 H new ATOM 0 HA ASP A 68 76.889 2.833 0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.494 3.170 -0.092 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.266 4.557 0.954 1.00 0.00 H new ATOM 984 N ASP A 69 77.184 5.817 1.409 1.00 0.00 N ATOM 985 CA ASP A 69 76.438 6.765 2.285 1.00 0.00 C ATOM 986 C ASP A 69 75.055 7.056 1.692 1.00 0.00 C ATOM 987 O ASP A 69 74.146 7.464 2.387 1.00 0.00 O ATOM 988 CB ASP A 69 77.289 8.035 2.309 1.00 0.00 C ATOM 989 CG ASP A 69 78.288 7.957 3.465 1.00 0.00 C ATOM 990 OD1 ASP A 69 79.371 7.438 3.251 1.00 0.00 O ATOM 991 OD2 ASP A 69 77.952 8.417 4.543 1.00 0.00 O ATOM 0 H ASP A 69 78.129 6.107 1.159 1.00 0.00 H new ATOM 0 HA ASP A 69 76.277 6.364 3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 69 77.819 8.149 1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 69 76.651 8.911 2.424 1.00 0.00 H new ATOM 996 N GLU A 70 74.890 6.851 0.413 1.00 0.00 N ATOM 997 CA GLU A 70 73.571 7.116 -0.218 1.00 0.00 C ATOM 998 C GLU A 70 72.585 5.999 0.127 1.00 0.00 C ATOM 999 O GLU A 70 71.473 6.248 0.548 1.00 0.00 O ATOM 1000 CB GLU A 70 73.865 7.148 -1.716 1.00 0.00 C ATOM 1001 CG GLU A 70 72.555 7.181 -2.494 1.00 0.00 C ATOM 1002 CD GLU A 70 72.314 8.595 -3.023 1.00 0.00 C ATOM 1003 OE1 GLU A 70 73.089 9.035 -3.857 1.00 0.00 O ATOM 1004 OE2 GLU A 70 71.360 9.217 -2.584 1.00 0.00 O ATOM 0 H GLU A 70 75.614 6.511 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 70 73.116 8.044 0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.467 8.024 -1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 70 74.447 6.272 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 70 72.593 6.473 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 70 71.730 6.876 -1.851 1.00 0.00 H new ATOM 1011 N ALA A 71 72.989 4.770 -0.029 1.00 0.00 N ATOM 1012 CA ALA A 71 72.074 3.642 0.312 1.00 0.00 C ATOM 1013 C ALA A 71 71.867 3.619 1.825 1.00 0.00 C ATOM 1014 O ALA A 71 70.915 3.057 2.329 1.00 0.00 O ATOM 1015 CB ALA A 71 72.797 2.379 -0.158 1.00 0.00 C ATOM 0 H ALA A 71 73.908 4.497 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 71 71.094 3.729 -0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.183 1.506 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 71 72.974 2.439 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.751 2.291 0.362 1.00 0.00 H new ATOM 1021 N GLN A 72 72.748 4.254 2.552 1.00 0.00 N ATOM 1022 CA GLN A 72 72.600 4.301 4.031 1.00 0.00 C ATOM 1023 C GLN A 72 71.434 5.220 4.362 1.00 0.00 C ATOM 1024 O GLN A 72 70.544 4.877 5.115 1.00 0.00 O ATOM 1025 CB GLN A 72 73.915 4.880 4.552 1.00 0.00 C ATOM 1026 CG GLN A 72 74.397 4.059 5.749 1.00 0.00 C ATOM 1027 CD GLN A 72 74.443 4.948 6.993 1.00 0.00 C ATOM 1028 OE1 GLN A 72 75.455 5.556 7.282 1.00 0.00 O ATOM 1029 NE2 GLN A 72 73.382 5.050 7.747 1.00 0.00 N ATOM 0 H GLN A 72 73.564 4.742 2.182 1.00 0.00 H new ATOM 0 HA GLN A 72 72.402 3.327 4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.667 4.868 3.763 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.776 5.921 4.844 1.00 0.00 H new ATOM 0 HG2 GLN A 72 73.728 3.215 5.917 1.00 0.00 H new ATOM 0 HG3 GLN A 72 75.386 3.647 5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 72 72.533 4.540 7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 72 73.402 5.640 8.579 1.00 0.00 H new ATOM 1038 N THR A 73 71.418 6.382 3.771 1.00 0.00 N ATOM 1039 CA THR A 73 70.292 7.318 4.017 1.00 0.00 C ATOM 1040 C THR A 73 69.018 6.688 3.460 1.00 0.00 C ATOM 1041 O THR A 73 67.926 6.939 3.928 1.00 0.00 O ATOM 1042 CB THR A 73 70.650 8.593 3.252 1.00 0.00 C ATOM 1043 OG1 THR A 73 72.064 8.727 3.191 1.00 0.00 O ATOM 1044 CG2 THR A 73 70.049 9.805 3.966 1.00 0.00 C ATOM 0 H THR A 73 72.135 6.721 3.130 1.00 0.00 H new ATOM 0 HA THR A 73 70.130 7.533 5.073 1.00 0.00 H new ATOM 0 HB THR A 73 70.248 8.535 2.241 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.413 8.179 2.457 1.00 0.00 H new ATOM 0 HG21 THR A 73 70.305 10.713 3.420 1.00 0.00 H new ATOM 0 HG22 THR A 73 68.965 9.701 4.009 1.00 0.00 H new ATOM 0 HG23 THR A 73 70.448 9.866 4.978 1.00 0.00 H new ATOM 1052 N LEU A 74 69.164 5.846 2.470 1.00 0.00 N ATOM 1053 CA LEU A 74 67.974 5.168 1.886 1.00 0.00 C ATOM 1054 C LEU A 74 67.373 4.233 2.933 1.00 0.00 C ATOM 1055 O LEU A 74 66.179 4.195 3.132 1.00 0.00 O ATOM 1056 CB LEU A 74 68.510 4.375 0.689 1.00 0.00 C ATOM 1057 CG LEU A 74 68.787 5.332 -0.470 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.365 4.552 -1.651 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.480 6.004 -0.896 1.00 0.00 C ATOM 0 H LEU A 74 70.057 5.600 2.042 1.00 0.00 H new ATOM 0 HA LEU A 74 67.194 5.865 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.423 3.849 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.786 3.619 0.386 1.00 0.00 H new ATOM 0 HG LEU A 74 69.502 6.091 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.562 5.235 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.295 4.070 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 74 68.651 3.793 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.675 6.687 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 74 66.767 5.244 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 74 67.066 6.561 -0.055 1.00 0.00 H new ATOM 1071 N ALA A 75 68.203 3.490 3.614 1.00 0.00 N ATOM 1072 CA ALA A 75 67.690 2.565 4.664 1.00 0.00 C ATOM 1073 C ALA A 75 66.976 3.364 5.757 1.00 0.00 C ATOM 1074 O ALA A 75 65.842 3.092 6.101 1.00 0.00 O ATOM 1075 CB ALA A 75 68.936 1.880 5.226 1.00 0.00 C ATOM 0 H ALA A 75 69.215 3.484 3.488 1.00 0.00 H new ATOM 0 HA ALA A 75 66.972 1.845 4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.644 1.179 6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.446 1.341 4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.607 2.631 5.643 1.00 0.00 H new ATOM 1081 N LYS A 76 67.633 4.355 6.302 1.00 0.00 N ATOM 1082 CA LYS A 76 66.993 5.177 7.368 1.00 0.00 C ATOM 1083 C LYS A 76 65.739 5.854 6.814 1.00 0.00 C ATOM 1084 O LYS A 76 64.870 6.276 7.551 1.00 0.00 O ATOM 1085 CB LYS A 76 68.044 6.221 7.750 1.00 0.00 C ATOM 1086 CG LYS A 76 69.338 5.517 8.164 1.00 0.00 C ATOM 1087 CD LYS A 76 69.690 5.896 9.603 1.00 0.00 C ATOM 1088 CE LYS A 76 69.170 4.818 10.556 1.00 0.00 C ATOM 1089 NZ LYS A 76 69.475 5.329 11.920 1.00 0.00 N ATOM 0 H LYS A 76 68.584 4.629 6.054 1.00 0.00 H new ATOM 0 HA LYS A 76 66.685 4.581 8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 76 68.233 6.887 6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 76 67.676 6.840 8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 76 69.219 4.437 8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 76 70.149 5.801 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 76 70.770 6.000 9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 76 69.250 6.861 9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 76 68.100 4.658 10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 76 69.660 3.861 10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 69.147 4.643 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 70.501 5.465 12.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 68.990 6.237 12.067 1.00 0.00 H new ATOM 1103 N TRP A 77 65.641 5.956 5.518 1.00 0.00 N ATOM 1104 CA TRP A 77 64.446 6.600 4.906 1.00 0.00 C ATOM 1105 C TRP A 77 63.283 5.605 4.853 1.00 0.00 C ATOM 1106 O TRP A 77 62.148 5.945 5.125 1.00 0.00 O ATOM 1107 CB TRP A 77 64.892 6.990 3.497 1.00 0.00 C ATOM 1108 CG TRP A 77 63.744 7.604 2.765 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.129 8.759 3.108 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.064 7.115 1.576 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.113 9.009 2.203 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.033 8.023 1.240 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.242 5.981 0.765 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.207 7.814 0.136 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.411 5.768 -0.348 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.396 6.683 -0.660 1.00 0.00 C ATOM 0 H TRP A 77 66.339 5.620 4.855 1.00 0.00 H new ATOM 0 HA TRP A 77 64.097 7.462 5.474 1.00 0.00 H new ATOM 0 HB2 TRP A 77 65.723 7.694 3.548 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.251 6.111 2.961 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.389 9.383 3.950 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.498 9.822 2.242 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.021 5.270 0.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.427 8.522 -0.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.555 4.894 -0.966 1.00 0.00 H new ATOM 0 HH2 TRP A 77 60.760 6.513 -1.516 1.00 0.00 H new ATOM 1127 N ILE A 78 63.557 4.375 4.510 1.00 0.00 N ATOM 1128 CA ILE A 78 62.468 3.357 4.447 1.00 0.00 C ATOM 1129 C ILE A 78 61.833 3.191 5.827 1.00 0.00 C ATOM 1130 O ILE A 78 60.631 3.278 5.984 1.00 0.00 O ATOM 1131 CB ILE A 78 63.159 2.059 4.015 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.471 2.107 2.515 1.00 0.00 C ATOM 1133 CG2 ILE A 78 62.239 0.871 4.300 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.985 2.092 2.308 1.00 0.00 C ATOM 0 H ILE A 78 64.487 4.031 4.271 1.00 0.00 H new ATOM 0 HA ILE A 78 61.673 3.641 3.758 1.00 0.00 H new ATOM 0 HB ILE A 78 64.088 1.948 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 78 63.016 1.254 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.042 3.006 2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.731 -0.052 3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 78 62.020 0.828 5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.309 0.989 3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.207 2.126 1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.428 2.959 2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 78 65.402 1.180 2.736 1.00 0.00 H new ATOM 1146 N LEU A 79 62.632 2.955 6.833 1.00 0.00 N ATOM 1147 CA LEU A 79 62.070 2.788 8.204 1.00 0.00 C ATOM 1148 C LEU A 79 61.415 4.093 8.664 1.00 0.00 C ATOM 1149 O LEU A 79 60.549 4.098 9.514 1.00 0.00 O ATOM 1150 CB LEU A 79 63.270 2.452 9.090 1.00 0.00 C ATOM 1151 CG LEU A 79 63.772 1.044 8.765 1.00 0.00 C ATOM 1152 CD1 LEU A 79 65.260 1.102 8.415 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.571 0.139 9.983 1.00 0.00 C ATOM 0 H LEU A 79 63.646 2.871 6.765 1.00 0.00 H new ATOM 0 HA LEU A 79 61.305 2.012 8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.067 3.179 8.931 1.00 0.00 H new ATOM 0 HB3 LEU A 79 62.987 2.514 10.141 1.00 0.00 H new ATOM 0 HG LEU A 79 63.214 0.645 7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 79 65.619 0.099 8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 79 65.405 1.748 7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.818 1.500 9.263 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.928 -0.865 9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 79 64.130 0.538 10.829 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.511 0.098 10.235 1.00 0.00 H new ATOM 1165 N SER A 80 61.827 5.199 8.109 1.00 0.00 N ATOM 1166 CA SER A 80 61.233 6.505 8.514 1.00 0.00 C ATOM 1167 C SER A 80 59.824 6.653 7.934 1.00 0.00 C ATOM 1168 O SER A 80 58.981 7.326 8.493 1.00 0.00 O ATOM 1169 CB SER A 80 62.166 7.564 7.930 1.00 0.00 C ATOM 1170 OG SER A 80 62.886 8.189 8.984 1.00 0.00 O ATOM 0 H SER A 80 62.550 5.255 7.392 1.00 0.00 H new ATOM 0 HA SER A 80 61.140 6.595 9.596 1.00 0.00 H new ATOM 0 HB2 SER A 80 62.858 7.106 7.223 1.00 0.00 H new ATOM 0 HB3 SER A 80 61.591 8.307 7.377 1.00 0.00 H new ATOM 0 HG SER A 80 63.487 8.868 8.612 1.00 0.00 H new ATOM 1176 N GLN A 81 59.560 6.034 6.815 1.00 0.00 N ATOM 1177 CA GLN A 81 58.201 6.151 6.208 1.00 0.00 C ATOM 1178 C GLN A 81 57.124 6.004 7.286 1.00 0.00 C ATOM 1179 O GLN A 81 56.258 6.845 7.428 1.00 0.00 O ATOM 1180 CB GLN A 81 58.113 5.007 5.199 1.00 0.00 C ATOM 1181 CG GLN A 81 58.372 5.550 3.794 1.00 0.00 C ATOM 1182 CD GLN A 81 59.789 6.118 3.722 1.00 0.00 C ATOM 1183 OE1 GLN A 81 60.708 5.439 3.309 1.00 0.00 O ATOM 1184 NE2 GLN A 81 60.006 7.345 4.109 1.00 0.00 N ATOM 0 H GLN A 81 60.221 5.456 6.297 1.00 0.00 H new ATOM 0 HA GLN A 81 58.044 7.120 5.735 1.00 0.00 H new ATOM 0 HB2 GLN A 81 58.843 4.235 5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 81 57.129 4.541 5.245 1.00 0.00 H new ATOM 0 HG2 GLN A 81 58.249 4.756 3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 81 57.645 6.325 3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 81 59.234 7.915 4.456 1.00 0.00 H new ATOM 0 HE22 GLN A 81 60.948 7.735 4.065 1.00 0.00 H new ATOM 1193 N LYS A 82 57.169 4.944 8.046 1.00 0.00 N ATOM 1194 CA LYS A 82 56.146 4.747 9.114 1.00 0.00 C ATOM 1195 C LYS A 82 54.743 5.018 8.560 1.00 0.00 C ATOM 1196 O LYS A 82 54.622 5.181 7.357 1.00 0.00 O ATOM 1197 CB LYS A 82 56.499 5.769 10.194 1.00 0.00 C ATOM 1198 CG LYS A 82 56.015 5.264 11.555 1.00 0.00 C ATOM 1199 CD LYS A 82 57.214 4.791 12.377 1.00 0.00 C ATOM 1200 CE LYS A 82 56.762 4.471 13.804 1.00 0.00 C ATOM 1201 NZ LYS A 82 57.225 5.626 14.623 1.00 0.00 N ATOM 1202 OXT LYS A 82 53.814 5.058 9.351 1.00 0.00 O ATOM 0 H LYS A 82 57.869 4.206 7.974 1.00 0.00 H new ATOM 0 HA LYS A 82 56.145 3.728 9.500 1.00 0.00 H new ATOM 0 HB2 LYS A 82 57.577 5.931 10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 82 56.037 6.729 9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 82 55.488 6.059 12.084 1.00 0.00 H new ATOM 0 HG3 LYS A 82 55.307 4.446 11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 82 57.657 3.907 11.918 1.00 0.00 H new ATOM 0 HD3 LYS A 82 57.984 5.562 12.393 1.00 0.00 H new ATOM 0 HE2 LYS A 82 55.679 4.357 13.859 1.00 0.00 H new ATOM 0 HE3 LYS A 82 57.199 3.537 14.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 56.952 5.479 15.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 58.260 5.706 14.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 56.787 6.500 14.269 1.00 0.00 H new TER 1216 LYS A 82 HETATM 1217 FE HEM A 83 63.904 -1.391 -3.922 1.00 0.00 FE HETATM 1218 CHA HEM A 83 63.303 -4.110 -2.054 1.00 0.00 C HETATM 1219 CHB HEM A 83 65.321 0.165 -1.247 1.00 0.00 C HETATM 1220 CHC HEM A 83 64.774 1.160 -5.910 1.00 0.00 C HETATM 1221 CHD HEM A 83 62.300 -2.860 -6.509 1.00 0.00 C HETATM 1222 NA HEM A 83 64.265 -1.877 -2.071 1.00 0.00 N HETATM 1223 C1A HEM A 83 64.030 -3.095 -1.490 1.00 0.00 C HETATM 1224 C2A HEM A 83 64.628 -3.194 -0.200 1.00 0.00 C HETATM 1225 C3A HEM A 83 65.100 -1.961 0.101 1.00 0.00 C HETATM 1226 C4A HEM A 83 64.882 -1.140 -1.080 1.00 0.00 C HETATM 1227 CMA HEM A 83 65.697 -1.516 1.425 1.00 0.00 C HETATM 1228 CAA HEM A 83 64.824 -4.517 0.524 1.00 0.00 C HETATM 1229 CBA HEM A 83 65.311 -5.604 -0.446 1.00 0.00 C HETATM 1230 CGA HEM A 83 66.338 -6.491 0.259 1.00 0.00 C HETATM 1231 O1A HEM A 83 67.030 -7.225 -0.429 1.00 0.00 O HETATM 1232 O2A HEM A 83 66.415 -6.423 1.475 1.00 0.00 O HETATM 1233 NB HEM A 83 64.822 0.298 -3.632 1.00 0.00 N HETATM 1234 C1B HEM A 83 65.308 0.834 -2.455 1.00 0.00 C HETATM 1235 C2B HEM A 83 65.901 2.142 -2.688 1.00 0.00 C HETATM 1236 C3B HEM A 83 65.800 2.358 -4.018 1.00 0.00 C HETATM 1237 C4B HEM A 83 65.117 1.237 -4.581 1.00 0.00 C HETATM 1238 CMB HEM A 83 66.478 3.087 -1.645 1.00 0.00 C HETATM 1239 CAB HEM A 83 66.325 3.495 -4.884 1.00 0.00 C HETATM 1240 CBB HEM A 83 67.802 3.312 -5.229 1.00 0.00 C HETATM 1241 NC HEM A 83 63.627 -0.958 -5.802 1.00 0.00 N HETATM 1242 C1C HEM A 83 64.086 0.130 -6.496 1.00 0.00 C HETATM 1243 C2C HEM A 83 63.686 0.081 -7.889 1.00 0.00 C HETATM 1244 C3C HEM A 83 62.937 -1.035 -8.020 1.00 0.00 C HETATM 1245 C4C HEM A 83 62.932 -1.673 -6.741 1.00 0.00 C HETATM 1246 CMC HEM A 83 64.030 1.087 -8.972 1.00 0.00 C HETATM 1247 CAC HEM A 83 62.051 -1.494 -9.171 1.00 0.00 C HETATM 1248 CBC HEM A 83 62.817 -1.628 -10.488 1.00 0.00 C HETATM 1249 ND HEM A 83 62.938 -3.071 -4.193 1.00 0.00 N HETATM 1250 C1D HEM A 83 62.308 -3.520 -5.324 1.00 0.00 C HETATM 1251 C2D HEM A 83 61.803 -4.855 -5.166 1.00 0.00 C HETATM 1252 C3D HEM A 83 62.172 -5.258 -3.937 1.00 0.00 C HETATM 1253 C4D HEM A 83 62.800 -4.112 -3.318 1.00 0.00 C HETATM 1254 CMD HEM A 83 61.039 -5.655 -6.208 1.00 0.00 C HETATM 1255 CAD HEM A 83 62.255 -6.694 -3.450 1.00 0.00 C HETATM 1256 CBD HEM A 83 60.923 -7.152 -2.865 1.00 0.00 C HETATM 1257 CGD HEM A 83 60.699 -8.628 -3.196 1.00 0.00 C HETATM 1258 O1D HEM A 83 61.673 -9.306 -3.481 1.00 0.00 O HETATM 1259 O2D HEM A 83 59.558 -9.057 -3.158 1.00 0.00 O HETATM 0 HMA1 HEM A 83 66.405 -0.706 1.251 1.00 0.00 H new HETATM 0 HMA2 HEM A 83 66.213 -2.355 1.892 1.00 0.00 H new HETATM 0 HMA3 HEM A 83 64.902 -1.167 2.084 1.00 0.00 H new HETATM 0 HMB1 HEM A 83 67.277 3.679 -2.092 1.00 0.00 H new HETATM 0 HMB2 HEM A 83 66.878 2.509 -0.812 1.00 0.00 H new HETATM 0 HMB3 HEM A 83 65.694 3.751 -1.282 1.00 0.00 H new HETATM 0 HMC1 HEM A 83 64.146 2.075 -8.527 1.00 0.00 H new HETATM 0 HMC2 HEM A 83 63.229 1.114 -9.711 1.00 0.00 H new HETATM 0 HMC3 HEM A 83 64.962 0.795 -9.457 1.00 0.00 H new HETATM 0 HMD1 HEM A 83 60.474 -4.976 -6.846 1.00 0.00 H new HETATM 0 HMD2 HEM A 83 60.353 -6.340 -5.710 1.00 0.00 H new HETATM 0 HMD3 HEM A 83 61.742 -6.224 -6.817 1.00 0.00 H new HETATM 0 HBB1 HEM A 83 68.313 4.052 -5.845 1.00 0.00 H new HETATM 0 HBB2 HEM A 83 68.344 2.442 -4.859 1.00 0.00 H new HETATM 0 HBC1 HEM A 83 62.297 -1.949 -11.391 1.00 0.00 H new HETATM 0 HBC2 HEM A 83 63.883 -1.402 -10.524 1.00 0.00 H new HETATM 0 HBA1 HEM A 83 65.755 -5.146 -1.330 1.00 0.00 H new HETATM 0 HBA2 HEM A 83 64.469 -6.205 -0.788 1.00 0.00 H new HETATM 0 HAA1 HEM A 83 63.886 -4.828 0.984 1.00 0.00 H new HETATM 0 HAA2 HEM A 83 65.547 -4.392 1.330 1.00 0.00 H new HETATM 0 HBD1 HEM A 83 60.110 -6.550 -3.271 1.00 0.00 H new HETATM 0 HBD2 HEM A 83 60.919 -7.006 -1.785 1.00 0.00 H new HETATM 0 HAD1 HEM A 83 63.037 -6.781 -2.695 1.00 0.00 H new HETATM 0 HAD2 HEM A 83 62.536 -7.346 -4.277 1.00 0.00 H new HETATM 0 HHA HEM A 83 63.113 -4.981 -1.444 1.00 0.00 H new HETATM 0 HHB HEM A 83 65.695 0.689 -0.380 1.00 0.00 H new HETATM 0 HHC HEM A 83 65.072 1.981 -6.546 1.00 0.00 H new HETATM 0 HHD HEM A 83 61.754 -3.306 -7.327 1.00 0.00 H new HETATM 0 HAB HEM A 83 65.720 4.338 -5.218 1.00 0.00 H new HETATM 0 HAC HEM A 83 60.986 -1.704 -9.067 1.00 0.00 H new